Popular descriptors for machine learning potentials such as the Behler-Parinello atom centred symmetry functions (ACSF) or the Smooth Overlap of Interatomic Potentials (SOAP) are widely used but so far not much attention has been paid to optimising how many descriptor components need to be included to give good results.
Metadata annotation is key to reproducibility in sequencing experiments. Reproducing this research using the scripts provided will also show the current level of annotation in years since 2015 when the paper was published.
Paper and codes+data have been published 4 years ago, will they still work? I always try to release data and codes to reproduce my papers, but I seldom receive feedback. It would be useful to have comments from a reproducers' team, in order to improve sharing for future research (I switched from MATLAB to Python already).
This was my third attempt at making a paper fully reproducible. To date I it's the most reproducible that I have published. I'm interested to know what stumbling blocks exist that I'm not aware of (aside from needing software like ArcGIS to fully rerun the complete analysis).